Autor: |
D. H. Yu, M. Avdeev, D. H. Sun, L. Q. Huston, Thomas B. Shiell, Q. B. Sun, T. Lu, Q. Gu, H. Liu, J. E. Bradby, N. Yie, Y. Liu, J. Y. Wang, G. J. McIntyre |
Jazyk: |
angličtina |
Rok vydání: |
2017 |
Předmět: |
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Zdroj: |
Scientific Reports, Vol 7, Iss 1, Pp 1-9 (2017) |
Druh dokumentu: |
article |
ISSN: |
2045-2322 |
DOI: |
10.1038/s41598-017-04323-2 |
Popis: |
Abstract Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe2BO3F2 has been observed with the linear compression coefficient along the c axis found to be about 40 times larger than that along the a axis. An unusual non-monotonic pressure response was observed for the a lattice parameter. The derived bulk modulus of 31 ± 1 GPa indicates that KBe2BO3F2 is a very soft oxide material yet with stable structure up to 45 GPa. A combination of high-pressure synchrotron powder X-ray diffraction, high-pressure Raman spectroscopy, and Density Functional Theory calculations points to the mechanism for the unusual pressure response being due to the competition between the K-F bond length and K-F-K bond angle and the coupling between the stretching and twisting vibration modes. |
Databáze: |
Directory of Open Access Journals |
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